SCHEMBL5654958

SCHEMBL5654958

O=C(NCc1ccc(NC2=NCCN2)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.57
ADRA2B P18089 4/20 0.57
ADRA2C P18825 4/20 0.57
NAMPT P43490 3/20 0.54
HDAC1 Q13547 5/20 0.53
KDM1A O60341 2/20 0.53
ALDH1A1 P00352 1/20 0.49
JAK2 O60674 2/20 0.48
MLLT1 Q03111 1/20 0.48
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
BMPR1B O00238 1/20 0.46
PLK4 O00444 1/20 0.46
CIT O14578 1/20 0.46
GAK O14976 1/20 0.46
OPA1 O60313 1/20 0.46
ROCK2 O75116 1/20 0.46
STK16 O75716 1/20 0.46
PRKD3 O94806 1/20 0.46
CSNK2A2 P19784 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5658117 0.92 ADRA2A (0.59) ADRA2AADRA2BADRA2CNAMPTHDAC1
SCHEMBL5656488 0.91 ADRA2A (0.58) ADRA2AADRA2BADRA2CNAMPTHDAC1
SCHEMBL5659076 0.91 ADRA2A (0.58) ADRA2AADRA2BADRA2CNAMPTHDAC1
SCHEMBL5658814 0.89 ADRA2A (0.59) ADRA2AADRA2BADRA2CNAMPTHDAC1
SCHEMBL5656482 0.88 ADRA2A (0.55) ADRA2AADRA2BADRA2CNAMPTHDAC1
SCHEMBL5659486 0.87 ADRA2A (0.57) ADRA2AADRA2BADRA2CHDAC1KDM1A
SCHEMBL5659450 0.87 ADRA2A (0.54) ADRA2AADRA2BADRA2CHDAC1ALDH1A1
SCHEMBL5655917 0.87 NAMPT (0.59) NAMPTHDAC1KDM1AALDH1A1MAPT
SCHEMBL5657259 0.87 ADRA2A (0.53) ADRA2AADRA2BADRA2CNAMPTHDAC1
SCHEMBL5657361 0.86 ADRA2A (0.55) ADRA2AADRA2BADRA2CHDAC1KDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR ADRA2A 90/4885ADRA2B 82/4885ADRA2C 112/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.